The CP2K project : input section UMBRELLA_INTEGRATION

Section UMBRELLA_INTEGRATION

Index of all sections. This section is located at __ROOT__%MOTION%FREE_ENERGY%UMBRELLA_INTEGRATION.

Controls the calculation of free energy derivatives with the umbrella integration method. This section can not be repeated and can not be optional.

Subsections

Section keywords

None

Back to the CP2K homepage or the latest version of this manual